2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine

C12H15N5O — CID 18520488

IUPAC2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ccnc(NN)n2)cc1
InChIInChI=1S/C12H15N5O/c1-18-10-4-2-9(3-5-10)8-15-11-6-7-14-12(16-11)17-13/h2-7H,8,13H2,1H3,(H2,14,15,16,17)
InChIKeyZMQMSAVCSJIHCY-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.38
Rot. Bonds5

About 2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine

2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 18520488) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID18520488
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ccnc(NN)n2)cc1
InChIInChI=1S/C12H15N5O/c1-18-10-4-2-9(3-5-10)8-15-11-6-7-14-12(16-11)17-13/h2-7H,8,13H2,1H3,(H2,14,15,16,17)
InChIKeyZMQMSAVCSJIHCY-UHFFFAOYSA-N
XLogP1.38
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-[(4-methoxyphenyl)methyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890248
N-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 106901045
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892411
2-N-butyl-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112883016
2-N-[(4-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883171
4-N-[(4-methoxyphenyl)methyl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892381
4-N-[2-(4-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893825
4-N-[(4-methoxyphenyl)methyl]-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112892502
2-N-(2-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892448
4-[[4-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]benzonitrile
CID 112892516
2-N-(2,4-dimethylphenyl)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892431
4-N-(4-bromophenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892589

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine (CID 18520488) is 2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine is COc1ccc(CNc2ccnc(NN)n2)cc1.
What is the InChIKey of 2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is ZMQMSAVCSJIHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-18-10-4-2-9(3-5-10)8-15-11-6-7-14-12(16-11)17-13/h2-7H,8,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine?
2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 245.29 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 18520488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).